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Key Documents

538191

Sigma-Aldrich

Butyraldehyde

≥99.0%, dry

Synonym(s):

Butanal

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About This Item

Linear Formula:
CH3CH2CH2CHO
CAS Number:
Molecular Weight:
72.11
Beilstein/REAXYS Number:
506061
EC Number:
MDL number:
UNSPSC Code:
12352114
PubChem Substance ID:
NACRES:
NA.21

vapor density

2.5 (vs air)

Quality Level

vapor pressure

90 mmHg ( 20 °C)

assay

≥99.0%

autoignition temp.

390 °F

expl. lim.

12.5 %

impurities

≤0.30% (water)

refractive index

n20/D 1.380 (lit.)

bp

75 °C (lit.)

mp

−96 °C (lit.)

solubility

water: soluble 50 g/L at 20 °C

density

0.8 g/mL at 25 °C (lit.)

SMILES string

[H]C(=O)CCC

InChI

1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

InChI key

ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

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General description

Butyraldehyde (n-Butyraldehyde), an aliphatic aldehyde, can be synthesized by dehydrogenation of butanol in the presence of zinc catalyst. It is an important precursor for preparing polyvinylbutyral. The mechanism of pyrolysis of butyraldehyde in the gas-phase has been described. The kinetic study of the condensation reaction between butyraldehyde and poly(vinyl alcohol) indicates retardation effect.

Application

Butyraldehyde (n-Butyraldehyde) may be used in the preparation of 2-ethylhexanal (2EH) via hydrogenation in the presence of tetraamine palladium(II) chloride supported on the potassium ion-exchanged zeolite X (Pd/KXW) and on the potassium ion-added zeolite X (Pd/KXU).

pictograms

FlameExclamation mark

signalword

Danger

hcodes

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

<50.0 °F - Pensky-Martens closed cup

flash_point_c

< 10 °C - Pensky-Martens closed cup


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Highly selective Pd/KX catalysts for low-pressure one-step synthesis of 2-ethylhexanal from n-butyraldehyde and hydrogen.
Ko AN, et al.
Catalysis Letters, 54(4), 207-210 (1998)
Kinetic studies on dehydrogenation of butanol to butyraldehyde using zinc oxide as catalyst.
Raizada VK, et al.
Journal of Chemical Technology and Biotechnology, 56(3), 265-270 (1993)
Thermal decomposition products of butyraldehyde.
Hatten CD, et al.
J. Chem. Phys. , 139(21), 214303-214303 (2013)
Retardation effect in acetalization of poly (vinyl alcohol) with butyraldehyde.
Rumyantsev M, et al.
Eur. Polymer J., 49(6), 1698-1706 (2013)
Daniel Norberg et al.
Journal of computational chemistry, 29(3), 392-406 (2007-07-04)
The stepwise and concerted pathways for the McLafferty rearrangement of the radical cations of butanal (Bu(+)) and 3-fluorobutanal (3F-Bu(+)) are investigated with density functional theory (DFT) and ab initio methods in conjunction with the 6-311+G(d,p) basis set. A concerted transition

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